Ligand name: ethyl 4-(2-cyanoethylsulfanyl)-6-methoxy-quinoline-3-carboxylate
PDB ligand accession: U53
DrugBank: n/a
PubChem: 57385803
ChEMBL: CHEMBL2036502
InChI Key: TZDUQSHGGUOAJU-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A5K1A2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5G1Z	Download	Experimental	e5g1zA1 e5g1zA2 e5g1zB1 e5g1zB2 e5g1zC1 e5g1zC2	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot